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<H2>
LAMMPS</H2>
<P>
LAMMPS = Large-scale Atomic/Molecular Massively Parallel Simulator</P>
<P>
This is the documentation for the LAMMPS 99 version, written in F77,
which has been superseded by more current versions.  See the <A
HREF="http://www.cs.sandia.gov/~sjplimp/lammps.html">LAMMPS WWW
Site</A> for more information.
<P>
LAMMPS is a classical molecular dynamics code designed for simulating 
molecular and atomic systems on parallel computers using 
spatial-decomposition techniques. It runs on any parallel platform that 
supports the MPI message-passing library or on single-processor 
workstations.</P>
<P>
LAMMPS 99 is copyrighted code that is distributed freely as
open-source software under the GNU Public License (GPL).  See the
LICENSE file or <A HREF="http://www.gnu.org">www.gnu.org</A> for more
details.  Basically the GPL allows you as a user to use, modify, or
distribute LAMMPS however you wish, so long as any software you
distribute remains under the GPL.
<P>
Features of LAMMPS 99 include:</P>
<UL>
    <LI>
    short-range pairwise Lennard-Jones and Coulombic interactions 
    <LI>
    long-range Coulombic interactions via Ewald or PPPM (particle-mesh 
    Ewald) 
    <LI>
    short-range harmonic bond potentials (bond, angle, torsion, improper) 
    <LI>
    short-range class II (cross-term) molecular potentials 
    <LI>
    NVE, NVT, NPT dynamics 
    <LI>
    constraints on atoms or groups of atoms 
    <LI>
    rRESPA long-timescale integrator 
    <LI>
    energy minimizer (Hessian-free truncated Newton method) 
</UL>
<P>
More details about the code can be found <A HREF="#_cch3_930958294">here</A>, 
in the HTML-based documentation. There is also a conference paper 
describing the parallel algorithms used in the code:</P>
<P>
S. J. Plimpton, R. Pollock, M. Stevens, &quot;Particle-Mesh Ewald and 
rRESPA for Parallel Molecular Dynamics Simulations&quot;, in Proc of 
the Eighth SIAM Conference on Parallel Processing for Scientific 
Computing, Minneapolis, MN, March 1997.</P>
<P>
LAMMPS was originally developed as part of a 5-way CRADA collaboration 
between 3 industrial partners (Cray Research, Bristol-Myers Squibb, and 
Dupont) and 2 DoE laboratories (Sandia National Laboratories and 
Lawrence Livermore National Laboratories).</P>
<P>
The primary author of LAMMPS is Steve Plimpton, but others have written 
or worked on significant portions of the code:</P>
<UL>
    <LI>
    Roy Pollock (LLNL): Ewald, PPPM solvers 
    <LI>
    Mark Stevens (Sandia): rRESPA, NPT integrators 
    <LI>
    Eric Simon (Cray Research): class II force fields 
    <LI>
    Todd Plantenga (Sandia): energy minimizer 
    <LI>
    Steve Lustig (Dupont): msi2lmp tool 
    <LI>
    Mike Peachey (Cray Research): msi2lmp tool 
</UL>
<P>
Other CRADA partners involved in the design and testing of LAMMPS are </P>
<UL>
    <LI>
    John Carpenter (Cray Research) 
    <LI>
    Terry Stouch (Bristol-Myers Squibb) 
    <LI>
    Jim Belak (LLNL) 
</UL>
<P>
LAMMPS is copyrighted code that is distributed freely as open-source
software under the GNU Public License (GPL).  See the LICENSE file or
<A HREF="http://www.gnu.org">www.gnu.org</A> for more details.
Basically the GPL allows you as a user to use, modify, or distribute
LAMMPS however you wish, so long as any software you distribute
remains under the GPL.
<P>
If you have questions about LAMMPS, please contact me:
</P>
<DL>
    <DT>
    Steve Plimpton
    <DD>
    sjplimp@sandia.gov 
    <DD>
    www.cs.sandia.gov/~sjplimp 
    <DD>
    Sandia National Labs 
    <DD>
    Albuquerque, NM 87185
</DL>
<HR>
<H3>
<A NAME="_cch3_930958294">More Information about LAMMPS</A></H3>
<DIR>
    <LI>
    <A HREF="basics.html">Basics</A> 
    <DIR>
        <LI>
        how to make, run, and test LAMMPS with the example problems 
    </DIR>
    <LI>
    <A HREF="input_commands.html">Input Commands</A> 
    <DIR>
        <LI>
        a complete listing of input commands used by LAMMPS 
    </DIR>
    <LI>
    <A HREF="data_format.html">Data Format</A> 
    <DIR>
        <LI>
        the data file format used by LAMMPS 
    </DIR>
    <LI>
    <A HREF="force_fields.html">Force Fields</A> 
    <DIR>
        <LI>
        the equations LAMMPS uses to compute force-fields 
    </DIR>
    <LI>
    <A HREF="units.html">Units</A> 
    <DIR>
        <LI>
        the input/output and internal units for LAMMPS variables 
    </DIR>
    <LI>
    <A HREF="crib.html">Crib</A> 
    <DIR>
        <LI>
        a one-line description of the variables used in LAMMPS 
    </DIR>
    <LI>
    <A HREF="history.html">History</A> 
    <DIR>
        <LI>
        a brief timeline of features added to LAMMPS 
    </DIR>
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